SCHEMBL6679300

SCHEMBL6679300

COC(=O)c1cc(S(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.42
PLA2G2A P14555 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALK Q9UM73 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6803966 0.89 RAB9A (0.44) GAAKDM4EALDH1A1
SCHEMBL6677132 0.88 HTT (0.42) GAAALDH1A1ALK
SCHEMBL6680430 0.87 ALK (0.47) NLRP3ALK
SCHEMBL6540846 0.86 KMT2A (0.46) NLRP3
SCHEMBL6541474 0.82 POLB (0.50) ALDH1A1
SCHEMBL6678463 0.81 ABCC9 (0.54)
SCHEMBL6539542 0.81 TSHR (0.47) NLRP3ALDH1A1
SCHEMBL6541135 0.81 TSHR (0.50) NLRP3KDM4EALDH1A1
SCHEMBL6544777 0.81 NAMPT (0.48) NLRP3
SCHEMBL9786087 0.80 CA12 (0.50) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 NLRP3 4808/4885PLA2G2A 2885/4885GAA 3654/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.